rosie4loop Lv 1
Thanks for the information!
I am also curious about the search criteria of the "Library" tool, it would be nice if this info can be provided!
Since the Smallworld search web interface is somehow easier to navigate compared to the in-game interface, it would be useful if I want to compare different ligands, ignoing conformers/(stereo)isomers that's only generated after Foldit download the dataset.
Assuming the libraray is the Enamine REAL set and I query the starting compound of Puzzle 2301, the default search critera gives 9148 compounds (see the screenshot), which is reasonable for the purpose of getting a dataset for virtual screening. However, for the gameplay, it is difficult to find the compounds provided in the in-game "Compond library" results.
(Checked "Adanced" to display more options and "Align" for easy comparison)
Given the small filesize download by Foldit, I assume that the search criteria is stricter. Or, is there any filtering e.g. based on similarity, after retriving the SMILES from the database?